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Loteprednol

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Name

Loteprednol

EINECS 244-617-5
CAS No. 129260-79-3 Density 1.34 g/cm3
PSA 83.83000 LogP 2.73570
Solubility N/A Melting Point N/A
Formula C21H27ClO5 Boiling Point 531.168 °C at 760 mmHg
Molecular Weight 394.89 Flash Point 275.041 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 129260-79-3 (Loteprednol) Hazard Symbols N/A
Synonyms

Loteprednol;

 

Loteprednol Specification

The cas register number of Loteprednol is 129260-79-3. It also can be called as 17a-Hydroxy-11b-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid chloromethyl ester and the IUPAC Name about this chemical is chloromethyl(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate.

Physical properties about Loteprednol are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 11; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 192; (7)ACD/KOC (pH 7.4): 192; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 83.83Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 100.521 cm3; (14)Molar Volume: 294.725 cm3; (15)Polarizability: 39.85x10-24cm3; (16)Surface Tension: 56.807 dyne/cm; (17)Enthalpy of Vaporization: 92.784 kJ/mol.

Loteprednol is a corticosteroid used in ophthalmology,applications for this drug include the treatment of inflammation of the eye due to allergies (according to the prescription information sheet), as well as chronic forms of keratitis (e.g.: adenoviral and Thygeson’s keratitis), vernal keratoconjunctivitis, pingueculitis, and episcleritis.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCOC(=O)[C@@]1(O)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3CC4)C
(2)InChI: InChI=1/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1 
(3)InChIKey: YPZVAYHNBBHPTO-MXRBDKCIBS
(4)Std. InChI: InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1 
(5)Std. InChIKey: YPZVAYHNBBHPTO-MXRBDKCISA-N

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